Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate

HCID 304558

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Basic information

CAS: 22931-71-1
Standard SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
Molecular formula: C13H12ClNO3
Average molar mass: 265.69 g/mol
Monoisotopic mass: 265.0505709

Names & identifiers

Preferred name: Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
IUPAC: ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
English name: ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate
Molecular formula: C13H12ClNO3
Molecular weight: 265.69

Names & synonyms

ethyl 4-chloro-6-methoxyquinoline-3-carboxylateDTXSID30307938RefChem:595387DTXCID90259065803-412-622931-71-1MFCD001734174-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl esterEthyl 4-chloro-6-methoxy-quinoline-3-carboxylateGNF-Pf-35513-Quinolinecarboxylic acid, 4-chloro-6-methoxy-, ethyl esterethyl 4chloro-6methoxyquinoline-3-carboxylate

Show more names

3-Carbethoxy-4-chloro-6-methoxyquinoline4-Chloro-6-methoxy-quinoline-3-carboxylic acid ethyl ester

6J-071SR-01000453170SR-01000453170-13-CarbethNSC196908FT-0646041Ethyl4-chloro-6-methoxyquinoline-3-carboxylateEthyl 4-chloro-6-methoxy-3-quinolinecarboxylate

Database identifiers

CAS: 22931-71-1
PubChem CID: 304558
DTXSID: DTXSID30307938
ChEMBL: CHEMBL601324
EC Number: 803-412-6

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 48.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 300

Physicochemical properties

Melting point: 88 · 88-90℃
storage temp.: Store at room temperature
form: solid
Appearance: Light brown to brown Solid
InChI: 1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HS Code: 2933499090 · 2933499090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

wgk: 3
hs_code: 2933499090
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
Hazard statements: H319
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 4-chloro-6-methoxyquinoline-3-carboxylate is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.